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CHEBI:167325 - Benzenehexanenitrile, beta,beta-dimethyl-epsilon-oxo-

ChEBI IDCHEBI:167325
ChEBI NameBenzenehexanenitrile, beta,beta-dimethyl-epsilon-oxo-
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H17NO
Net Charge0
Average Mass215.296
Monoisotopic Mass215.13101
SMILESCC(C)(CC#N)CCC(=O)c1ccccc1
InChIInChI=1S/C14H17NO/c1-14(2,10-11-15)9-8-13(16)12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3
InChIKeyPMCFJNWHBHDYJP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Benzenehexanenitrile, beta,beta-dimethyl-epsilon-oxo- (CHEBI:167325) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
3,3-dimethyl-6-oxo-6-phenylhexanenitrile
Manual XrefsDatabases
496121ChemSpider